Geometry & MOs

Info

ID:	230395
PubChem CID:	87570781
Reduced:	ClSO2N4H13C16 (1)
Stoich.:	ABC2D4E13F16 (1)
Weight, g/mol:	632.189376
ΔH_f, kcal/mol:	7.85
Dipole, Da:	5.77
IP(EA), eV:	-8.77(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3,5,7-tris(2,4,5-trihydroxyphenyl)-1-adamantyl]benzene-1,2,4-triol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC(=C2)C3=CN=C(C=C3)N)Cl

DOS

IR

Vibrations